Basic information
- CAS
870777-29-0- Standard SMILES
CC(=O)c1ccc(F)c(B(O)O)c1- InChIKey
FQVNUEBNRAIKBR-UHFFFAOYSA-N- Molecular formula
- C8H8BFO3
- Average molar mass
- 181.96 g/mol
- Monoisotopic mass
- 182.05505274
Names & identifiers
- Preferred name
- 5-Acetyl-2-fluorobenzeneboronic acid
- IUPAC
- (5-acetyl-2-fluorophenyl)boronic acid
- English name
- 5-Acetyl-2-fluorophenylboronic acid
- Molecular formula
- C8H8BFO3
- Molecular weight
- 181.96
Names & synonyms
5-ACETYL-2-FLUOROBENZENEBORONIC ACIDRefChem:531886617-952-35-Acetyl-2-fluorophenylboronic acid870777-29-0(5-acetyl-2-fluorophenyl)boronic acid2-Fluoro-5-acetylphenylboronic acidMFCD06656263SCHEMBL841590DTXSID70376840FQVNUEBNRAIKBR-UHFFFAOYSA-NSBB065083
Show more names
3-Borono-4-fluoroacetophenone(5-Acetyl-2-methylphenyl)boronic acidBoronic acid, B-(5-acetyl-2-fluorophenyl)-5-Acetyl-2-fluorophenylboronic acid - [A2238]
(5-acetyl-2-fluorophenyl)boronicacid2-fluoro 5-acetylphenyl boronic acidAKOS015841048AB25478AS-17774SY032243CS-0060844EN300-181080
Database identifiers
- CAS
870777-29-0- PubChem CID
- 2763247
- DTXSID
DTXSID70376840- EC Number
- 617-952-3
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 112 · 112-117 °C (lit.)
- Boiling point
- 376.1 · 376.1±52.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 7.54 · 7.54±0.58(Predicted)
- color
- Light yellow to yellow
- CAS DataBase Reference
- 870777 · 870777-29-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29310095 · 29310095
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29310095
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses5-Acetyl-2-fluorophenylboronic acid is a pharmaceutical intermediate compound that can be used to prepare the herbicide methyl 5-(5-acetyl-2-fluorophenyl)-2-cyclobutylpyrimidine-4-carboxylate.
Suppliers84 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州苏凯路化学科技有限公司0512-0512-62766020 15995735907 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
硼诺科技（北京）有限公司010-15313962280 15313962280 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
德州博腾精细化工有限公司[email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海相辉医药科技有限公司[email protected]
Related reactions
7 records
Compound notes
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